Basic information
- CAS
5395-36-8- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1- InChIKey
URMNHHAUVFEMIG-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate
- IUPAC
- ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
- English name
- 2-Hydroxy-6-methyl-4-phenyl-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylateRefChem:593200637-265-25395-36-8ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylateEthyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateMFCD00124778ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylateNSC2780Maybridge1_0058515-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyriMidine-5-carboxylic Acid, Ethyl Ester
Show more names
NSC 5975NSC 2780NSC 24338NSC 14857ST5016018ST5451282MFCD0012477BAS 03148543
Oprea1_7244182-Hydroxy-6-Methyl-4-Phenyl-1,4-Dihydro-Pyrimidine-5-Carboxylic Acid Ethyl EsterCHEMBL507603HMS1673D07NSC-2780NSC24338STK068196AKOS000296710
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Melting point
- 202 · 202-203°C
- Boiling point
- 203 · 203-205 °C
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 11.34 · 11.34±0.70(Predicted)
- color
- White to Almost white
- λmax
- 332 nm · 332nm(CH3CN)(lit.)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Eye Irrit. 2 (100%)
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic Acid, Ethyl Ester (cas# 5395-36-8) is a compound useful in organic synthesis.
Suppliers48 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Related reactions
2 records
Compound notes
Loading…